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Atomfair 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile C13H11Cl2NO CAS 65619-30-9

1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile (CAS No. 65619-30-9) is a high-purity organic compound with the molecular formula C13H11Cl2NO . This specialized chemical features a cyclohexanone ring substituted with a nitrile group and a 3,4-dichlorophenyl moiety, making it a valuable intermediate for pharmaceutical and agrochemical research. With an IUPAC name of 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile , this compound is supplied as a crystalline solid with ≥95% purity (HPLC). It is ideal for use in Suzuki coupling reactions, heterocyclic synthesis, and as a building block for bioactive molecules. Proper storage at 2-8°C in a tightly sealed container is recommended to ensure stability.

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Description

1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile (CAS No. 65619-30-9) is a high-purity organic compound with the molecular formula C13H11Cl2NO. This specialized chemical features a cyclohexanone ring substituted with a nitrile group and a 3,4-dichlorophenyl moiety, making it a valuable intermediate for pharmaceutical and agrochemical research. With an IUPAC name of 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile, this compound is supplied as a crystalline solid with ≥95% purity (HPLC). It is ideal for use in Suzuki coupling reactions, heterocyclic synthesis, and as a building block for bioactive molecules. Proper storage at 2-8°C in a tightly sealed container is recommended to ensure stability.

Properties

  • CAS Number: 65619-30-9
  • Complexity: 350
  • IUPAC Name: 1-(3,4-dichlorophenyl)-4-oxo-cyclohexanecarbonitrile
  • InChI: InChI=1S/C13H11Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7H,3-6H2
  • InChI Key: YDVFTCZQEZJUIH-UHFFFAOYSA-N
  • Exact Mass: 267.0217694
  • Molecular Formula: C13H11Cl2NO
  • Molecular Weight: 268.13
  • SMILES: C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)Cl)Cl
  • Topological: 40.9
  • Monoisotopic Mass: 267.0217694
  • Synonyms: 65619-30-9, 1-(3,4-dichlorophenyl)-4-oxocyclohexanecarbonitrile, 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile, 4-CYANO-4-(3,4-DICHLOROPHENYL)CYCLOHEXANONE, SCHEMBL3519672, DTXSID50393313, YDVFTCZQEZJUIH-UHFFFAOYSA-N, AKOS016013566, DB-328459, CS-0322710, ST50408216

Application

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical and agrochemical research. It is utilized in the development of potential CNS-targeting drugs due to its structural similarity to known pharmacophores. Researchers also employ it in cross-coupling reactions to create novel heterocyclic frameworks for drug discovery programs.

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Disclaimer

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This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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